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981.
在醋酸/水体系的工业分离中,溶液中的氢键对分离效率有很大影响.本文采用两种第一性原理方法,即从头算分子动力学模拟(AIMD)和量子化学计算(QCC),对由单个醋酸和不同水分子所组成聚合体的氢键相互作用进行了研究,采用极化统一模型和自洽反应场模型计算得到了聚合体在水溶液中的热力学数据.从QCC计算的气相和水溶液中的聚合自由能表明六元环在两种状态下都为最优结构,热力学数据反映出的各种结构的相对稳定性与AIMD模拟的环分布符合得相当一致.研究表明,由于存在醋酸和水分子间的氢键作用,稀醋酸/水溶液中的醋酸分离要比在浓醋酸溶液中困难得多. 相似文献
982.
<正>"One-step"method for the synthesis of secondary aliphatic amine substituted nitrobenzaldehyde was developed.In the presence of Pd catalyst,halogenated nitrobenzaldehyde could be smoothly coupled with secondary aliphatic amine to give the target product in hexamethylphosphamide(HMPT) media without the protection of aldehyde groups. 相似文献
983.
Serge Kokot 《中国化学快报》2010,21(8):963-967
<正>The interactions of carbofuran and DNA were studied using voltammetry and fluorescence spectroscopy.The formation of carbofuran-DNA makes the current peak of DNA decreased by voltammetry method.The binding number(n) and constant(K_a) for complex carbofuran-DNA were calculated to be 1.06±0.04 and 0.11±0.03mol~(-1) L,respectively by fluorescence measurement.Chemometrics approach,such as singular value decomposition(SVD) was used to evaluate the number of spectral species in the drug-DNA binding process.And the pure spectra and concentration profiles in the kinetic system were clearly deduced by multivariate curve resolution alternating least squares(MCR-ALS) with the initial estimates by evolving factor analysis(EFA). 相似文献
984.
<正>Nitration of 4,4'-biphenyldicarboxylic acid(BPDC) was studied and an aromatic carboxylic acid containing two nitro groups was synthesized and characterized through elemental analysis and IR spectra.Crystal structure of DNBPDC(DNBPDC=2,2'- dinitro-4,4'-biphenyldicarboxylic acid) was determined by X-ray single crystal diffraction and the thermal decomposition was carried out through DSC and TG-DTG analyses. 相似文献
985.
Hua Ping Zhu Ting Ting Liu Bing Liu Hui Ling Yin Xiao Long Li Li Wang Shuo Wang 《中国化学快报》2010,21(9):1049-1052
<正>Two haptens of 3-[(5-amino-furan-2-ylmethylene)amino]oxazolidin-5-one(FZ-NH_2) and 3-{[(4-carboxyphenyl)methylene]-amino} -2-oxazolidinone(CPAOZ) were synthesized.For FZ-NH_2,immunogens were prepared by glutaraldehyde and diazo salt methods.For CPAOZ,immunogens were connected by the methods of the active ester and mixed acid anhydride.Compared with the combination,indirect competitive enzyme-linked immunosorbent assay(ic-ELISA) was developed with coating antigen of FZ-NH_2 -OVA via the glutaraldehyde method and immunogen of CPAOZ-KLH via active ester method.For furazolidone and its metabolite AOZ(NPAOZ as derivative),the sensitivities(IC_(50)) were 2.0μg/L and 2.5μg/L,limits of detection(IC_(15)) were 0.09μg/L and 0.25μg/L,respectively.A sensitive method was developed for the simultaneous determination of furazolidone in feed and its metabolite AOZ in tissue. 相似文献
986.
Facile synthesis of a melt-spinnable polyborazine from asymmetric alkylaminoborazine 总被引:1,自引:0,他引:1
Yong Peng Lei Ying De Wang Yong Cai Song Yi He Li Hao Wang Cheng Deng Zheng Fang Xie 《中国化学快报》2010,21(9):1079-1082
<正>A novel asymmetric alkylaminoborazine monomer,2-propylamino-4,6-bis(methylamino)borazine,was synthesized for the first time,and directly polymerized to give a melt-spinnable polyborazine(PBN).This asymmetric alkylaminoborazine was synthesized by an aminolysis reaction of 2,4,6-trichloroborazine(TCB) with different amines under mild conditions.This route turns out to be much cheaper and simpler than the conventional routes.The chemical composition,structure,molecular weights and ceramic yield were investigated by EA,FTIR,NMR,GPC and TG analysis.The PBN exhibits suitable rheological property for melt-spinning, which suggests that it is a potential precursor for BN fibers. 相似文献
987.
988.
A novel high performance liquid chromatography-chemiluminescence(HPLC-CL) method for investigation of in vitro metabolism of repaglinide in pig liver microsomes with microdialysis sampling technique was developed.The chromatographic separation was performed on a Hypersil BDS-C18 column with an isocratic mobile phase consisting of methanol and 0.01 mol/L KH2PO4(pH 3.0)(volume ratio 75:25) at a flow rate of 1.0 mL/min.The detection was based on the chemiluminescence reaction of repaglinide with acidic potassium permanganate(KMnO4) and tris(2,2’-bipyridyl)ruthenium(Ⅲ)(Ru(bpy)33+),which was immobilized on the cationic ion-exchange resin for obtaining high sensitivity and reducing consumption of expensive reagent. 相似文献
989.
The analytical expressions of the various structural units and the average degree of branching for the hyperbranched polymers resulted from AB_2 polycondensation with substitution effect were derived by the kinetic mechanism.The reactivity difference between the B group in linear unit and that in terminal group has great effect on the molecular parameters of the products obtained.The concentration of terminal units has a maximum with the increase of the conversion of A groups(x).The higher the reactivity... 相似文献
990.
A comprehensive kinetic model for oxidative coupling of methane(OCM)over Mn and/or W promoted Na2SO4/SiO2 catalysts was developed based on a micro-catalytic reactor data.The methane conversion and ethylene,ethane,carbon monoxide and carbon dioxide selectivities were obtained in a wide operating condition range of 750 - 825-C,CH4/O2=2.5 - 10 and contact time=267 - 472 kg s m-3.Reaction networks of six models with different rate equation types were compared together.The kinetic rate parameters of each reaction network were estimated using linear regression or genetic algorithm optimization method(GA).A reaction network suggested by Stansch et al.for OCM was found to be the best one and was further used in this work.The suggested model could predict the experimental results of OCM reaction within a deviation range of ± 20%. 相似文献